Base information
| Cat. No. | |
| CAS No. | 88331-14-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C35H50N10O12 |
| Molecular Weight | 802.831 |
| Exact Mass | 802.361 |
| XLogP3 | 2.6454 |
| Mr | 208.882 |
| PSA | 381.77 |
| Sequence | - |
| Atom number | 107 |
| Bond number | 107 |
| Ring number | 3 |
| Rotor number | 21 |
| Residues number | 0 |
| Canonical smiles | O=C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCN=C(N)N.CC(=O)O.CC(=O)O |
